• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

Molecular dynamics simulation for polymers in the presence of a heat bath.

作者信息

Grest GS, Kremer K

出版信息

Phys Rev A Gen Phys. 1986 May;33(5):3628-3631. doi: 10.1103/physreva.33.3628.

DOI:10.1103/physreva.33.3628
PMID:9897103
Abstract
摘要

相似文献

1
Molecular dynamics simulation for polymers in the presence of a heat bath.聚合物在热浴存在下的分子动力学模拟。
Phys Rev A Gen Phys. 1986 May;33(5):3628-3631. doi: 10.1103/physreva.33.3628.
2
Molecular Dynamics Simulation of a Feather-Boa Model of a Bacterial Chromosome.细菌染色体的羽毛围巾模型的分子动力学模拟
Methods Mol Biol. 2018;1837:403-415. doi: 10.1007/978-1-4939-8675-0_20.
3
Size and shape of excluded volume polymers confined between parallel plates.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Mar;83(3 Pt 1):031803. doi: 10.1103/PhysRevE.83.031803. Epub 2011 Mar 18.
4
Direct simulation of electron transfer using ring polymer molecular dynamics: comparison with semiclassical instanton theory and exact quantum methods.使用环聚合物分子动力学直接模拟电子转移：与半经典瞬时理论和精确量子方法的比较。
J Chem Phys. 2011 Aug 21;135(7):074106. doi: 10.1063/1.3624766.
5
Microcanonical quasistationarity of long-range interacting systems in contact with a heat bath.
Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Jan;79(1 Pt 1):011102. doi: 10.1103/PhysRevE.79.011102. Epub 2009 Jan 7.
6
Three-dimensional Brownian diffusion of rod-like macromolecules in the presence of randomly distributed spherical obstacles: molecular dynamics simulation.棒状大分子在随机分布的球形障碍物存在下的三维布朗扩散：分子动力学模拟。
J Chem Phys. 2010 Dec 21;133(23):234904. doi: 10.1063/1.3518978.
7
Thermal dynamics of bomb calorimeters.量热计的热动力学
Rev Sci Instrum. 2015 Dec;86(12):125103. doi: 10.1063/1.4936568.
8
Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pH.水-质子浴的平均力势与恒 pH 值下蛋白质的分子动力学模拟。
J Comput Chem. 2012 Mar 30;33(8):832-42. doi: 10.1002/jcc.22909. Epub 2012 Jan 25.
9
Simulated tempering based on global balance or detailed balance conditions: Suwa-Todo, heat bath, and Metropolis algorithms.基于全局平衡或细致平衡条件的模拟回火：须和户岛算法、热浴算法及 metropolis 算法。
J Comput Chem. 2015 Dec 5;36(31):2344-9. doi: 10.1002/jcc.24213. Epub 2015 Oct 15.
10
Anisotropic heat transport in nanoconfined polyamide-6,6 oligomers: atomistic reverse nonequilibrium molecular dynamics simulation.纳米受限聚酰胺-6,6 低聚物中的各向异性热输运：原子级反向非平衡分子动力学模拟。
J Chem Phys. 2012 Mar 14;136(10):104901. doi: 10.1063/1.3692297.

引用本文的文献

1
Thermodynamics of Molecular Binding and Clustering in the Atmosphere Revealed through Conventional and ML-Enhanced Umbrella Sampling.通过传统和机器学习增强的伞形采样揭示大气中分子结合与聚集的热力学
ACS Omega. 2025 Aug 18;10(34):39148-39161. doi: 10.1021/acsomega.5c05634. eCollection 2025 Sep 2.
2
and secondary metabolites exhibit neuroprotective potential: insights from in vitro, ex vivo and computational models.次级代谢产物具有神经保护潜力：来自体外、离体和计算模型的见解。
In Silico Pharmacol. 2025 Aug 27;13(3):120. doi: 10.1007/s40203-025-00412-7. eCollection 2025.
3
Solvation Energetic Costs of Cognate Binding Site Formation.
同源结合位点形成的溶剂化能量成本。
J Chem Inf Model. 2025 Sep 8;65(17):9177-9195. doi: 10.1021/acs.jcim.5c01432. Epub 2025 Aug 15.
4
Linking Structure and Optical Properties of Plasmonic Nanoparticles on Tunable Spherical Surfaces.可调谐球形表面上等离子体纳米颗粒的结构与光学性质的关联
ACS Appl Mater Interfaces. 2025 Aug 20;17(33):47385-47395. doi: 10.1021/acsami.5c11151. Epub 2025 Aug 11.
5
The EMC acts as a chaperone for membrane proteins.内质网分子伴侣（EMC）作为膜蛋白的伴侣蛋白发挥作用。
Nat Commun. 2025 Aug 2;16(1):7097. doi: 10.1038/s41467-025-62109-x.
6
Self-assembly and thermal conductivity of amphiphilic Janus nanoparticles under nanoslit confinement.纳米狭缝限制下两亲性Janus纳米颗粒的自组装与热导率
RSC Adv. 2025 Jul 8;15(29):23588-23595. doi: 10.1039/d5ra03226a. eCollection 2025 Jul 4.
7
Comparing the Structure of Microgels at Liquid-Liquid and Solid-Liquid Interfaces.比较微凝胶在液-液界面和固-液界面的结构。
Langmuir. 2025 Jul 1;41(25):16674-16684. doi: 10.1021/acs.langmuir.5c02599. Epub 2025 Jun 19.
8
Identification of Potential FDA-Approved Inhibitors of SARS-CoV-2 Helicase Through a Multistep Approach: A Promising Prospect for COVID-19 Treatment.通过多步骤方法鉴定潜在的FDA批准的SARS-CoV-2解旋酶抑制剂：COVID-19治疗的一个有前景的前景。
Med Chem. 2025;21(5):425-441. doi: 10.2174/0115734064318640241112071225.
9
Unraveling the Mechanical Behavior of Softwood Secondary Cell Walls through Atomistic Simulations.通过原子模拟揭示软木次生细胞壁的力学行为
Biomacromolecules. 2025 Jun 9;26(6):3395-3409. doi: 10.1021/acs.biomac.4c01806. Epub 2025 May 27.
10
Exploring the Anticancer Potential of Lamivudine-Loaded Polymeric Nanoparticles: Cytotoxicity, Tissue Deposition, Biochemical Impact , and Molecular Simulations Analysis.探索载有拉米夫定的聚合物纳米颗粒的抗癌潜力：细胞毒性、组织沉积、生化影响及分子模拟分析
ACS Appl Bio Mater. 2025 Jun 16;8(6):4815-4828. doi: 10.1021/acsabm.5c00182. Epub 2025 May 19.